Basic information
- Standard SMILES
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
NAOFLFFIGTWCPY-UHFFFAOYSA-N- Molecular formula
- C18H21BF3N3O2
- Average molar mass
- 379.2 g/mol
Names & identifiers
- Preferred name
- N-(3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(trifluoromethyl)pyrimidin-2-amine
- IUPAC
- N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
Names & synonyms
1312535-00-4N-(3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(trifluoromethyl)pyrimidin-2-amineN-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amineSCHEMBL1981319DA-12658F53218A1-24197N-[3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)-pyrimidin-2-amine
Database identifiers
- PubChem CID
- 58456089
Properties
Computed structural properties
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Related reactions
42 records
Compound notes
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